1,3-dimethyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]xanthine Formula: C13H22N6O2+2 MolecularWeight: 294.35278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C13H20N6O2/c1-15-4-6-18(7-5-15)9-19-8-14-11-10(19)12(20)17(3)13(21)16(11)2/h8H,4-7,9H2,1-3H3/p+2